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Computational_Chemistry:
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['1. XlogP :-05 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :3 ', '6. TPSA 434 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :102 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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More_Info:
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['1 . Appearance Colourless 斜方棱柱体针状or 片状结晶。对湿敏感。 ', '2 . Density（g/mL,25℃）1234 ', '3 . Relative vapor density（g/mL,Atmosphere =1）35 ', '4 . Melting point（ºC）120 ', '5 . Boiling point（ºC,Atmospheric pressure）261 ', '6 相对. Density（20℃，4℃）12340 ', '7 . Refractive index（D20)147 ', '8 . Flash point（ºC）157 ', '9 晶相相标准. Combustion heat(焓)(kJ·mol-1)-15381 ', '10 晶相标准声称热(焓)( kJ·mol-1)-6076 ', '11 . Vapor pressure（mmHg, 92ºC）1 ', '12 . Saturated vapor pressure（kPa, ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 微Soluble in Water and Ethyl ether ，Soluble in 氯仿四氯化碳 Ethanol 。']
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